Sugi Predict

Sugi Predict / Compounds / SCHEMBL4467466

SCHEMBL4467466

SCHEMBL4467466

N#Cc1c(NC2CCCC2)sc(C(=O)c2cc(C(=O)N3CCOCC3)no2)c1N

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 4/20 0.40
▸ MELK Q14680 3/20 0.38
▸ HPGD P15428 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ RAB9A P51151 9/20 0.38
▸ NPC1 O15118 8/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ CYP1A2 P05177 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ TP53 P04637 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ CTSK P43235 2/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4472384 0.84 NPC1 (0.43) SMN1; SMN2MELKHPGDTDP1RAB9A
SCHEMBL4475106 0.82 MELK (0.43) SMN1; SMN2MELKCYP1A2MEN1KMT2A
SCHEMBL4476155 0.81 MELK (0.41) SMN1; SMN2MELKHPGDRAB9ANPC1
SCHEMBL4483218 0.81 MELK (0.46) SMN1; SMN2MELKHPGDRAB9ANPC1
SCHEMBL4477072 0.81 MAPK1 (0.41) SMN1; SMN2MELKHPGDRAB9ANPC1
SCHEMBL4483228 0.79 MELK (0.40) SMN1; SMN2MELKHPGDRAB9ANPC1
SCHEMBL3824051 0.78 USP30 (0.44) SMN1; SMN2MELKHPGDKDM4ECYP1A2
SCHEMBL3816421 0.78 MELK (0.41) SMN1; SMN2MELKCYP1A2KMT2ACYP3A4
SCHEMBL4467624 0.77 USP30 (0.43) SMN1; SMN2MELKHPGDRAB9ANPC1
SCHEMBL4475686 0.77 ALDH1A1 (0.45) SMN1; SMN2MELKHPGDTDP1RAB9A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8470821-B2 PDE4B inhibitors and uses therefor PLEXXIKON INC. (US) 2013-06-25 — — US disclosed
US-8470821-B2 PDE4B inhibitors and uses therefor PLEXXIKON INC. (US) 2013-06-25 — — US disclosed
US-8470821-B2 PDE4B inhibitors and uses therefor PLEXXIKON INC. (US) 2013-06-25 — — US disclosed
US-20090286793-A1 PDE4B INHIBITORS AND USES THEREFOR PLEXXIKON, INC. 2009-11-19 — — US disclosed
US-20090286793-A1 PDE4B INHIBITORS AND USES THEREFOR PLEXXIKON, INC. 2009-11-19 — — US disclosed
US-20090286793-A1 PDE4B INHIBITORS AND USES THEREFOR PLEXXIKON, INC. 2009-11-19 — — US disclosed
US-7585859-B2 PDE4B inhibitors and uses therefor PLEXXIKON, INC. (US) 2009-09-08 — — US disclosed
US-7585859-B2 PDE4B inhibitors and uses therefor PLEXXIKON, INC. (US) 2009-09-08 — — US disclosed
US-7585859-B2 PDE4B inhibitors and uses therefor PLEXXIKON, INC. (US) 2009-09-08 — — US disclosed
US-20060041006-A1 PDE4B inhibitors and uses therefor PLEXXIKON, INC. 2006-02-23 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090286793-A1 PDE4B INHIBITORS AND USES THEREFOR PDE4B, PDE7B, PDE4A SMN1; SMN2 1379/4885MELK 3735/4885HPGD 319/4885
US-20060041006-A1 PDE4B inhibitors and uses therefor PDE4B, PDE7B, PDE4A SMN1; SMN2 1379/4885MELK 3735/4885HPGD 319/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.